4-methyl-1-prop-2-enoxypentane

C9H18O — CID 58820697

IUPAC4-methyl-1-prop-2-enoxypentane
SMILESC=CCOCCCC(C)C
InChIInChI=1S/C9H18O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyRAFREJUDTCGDKL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds6

About 4-methyl-1-prop-2-enoxypentane

4-methyl-1-prop-2-enoxypentane (PubChem CID 58820697) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enoxypentane.

Molecular Properties

Compound Name4-methyl-1-prop-2-enoxypentane
PubChem CID58820697
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-methyl-1-prop-2-enoxypentane
SMILESC=CCOCCCC(C)C
InChIInChI=1S/C9H18O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyRAFREJUDTCGDKL-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enoxypentane?
The IUPAC name of 4-methyl-1-prop-2-enoxypentane (CID 58820697) is 4-methyl-1-prop-2-enoxypentane.
What is the SMILES notation for 4-methyl-1-prop-2-enoxypentane?
The canonical SMILES for 4-methyl-1-prop-2-enoxypentane is C=CCOCCCC(C)C.
What is the InChIKey of 4-methyl-1-prop-2-enoxypentane?
The InChIKey is RAFREJUDTCGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-7-10-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 4-methyl-1-prop-2-enoxypentane?
4-methyl-1-prop-2-enoxypentane has a molecular weight of 142.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enoxypentane is sourced from PubChem (CID 58820697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).